miniworld.utils.kinematics.xyz_to_chi1

miniworld.utils.kinematics.xyz_to_chi1(xyz_t)

convert template cartesian coordinates into chi1 angles

Parameters:

xyz_t (pytorch tensor of shape [batch, templ, nres, 14, 3]) – stores Cartesian coordinates of template atoms. For missing atoms, it should be NaN

Returns:

chi1 – stores cos and sin chi1 angle

Return type:

pytorch tensor of shape [batch, templ, nres, 2]